%NProcShared=64 %Mem=54Gb #B3LYP/6-31G(d,p) SCF=Tight Pop=(ESP,Dipole,Regular) Iop(6/33=2) Iop(6/42=6) Iop(6/50=1) gfinput partial charges 0 1 F 1.227 -2.826 -0.028 F 6.362 0.749 -1.229 O 0.365 1.830 0.612 O -3.600 -2.438 -0.993 O -5.975 -1.062 -1.989 O -6.316 0.896 -0.922 N -2.451 1.315 0.264 N 2.203 -0.208 0.578 N 6.055 -1.201 -3.199 H 5.946 -1.398 -4.198 C -2.226 2.568 0.978 C -3.275 3.051 1.948 C -1.948 2.541 2.453 C -1.473 0.320 0.135 C -3.709 1.064 -0.206 C -1.888 -0.966 -0.290 C -0.091 0.556 0.355 C 0.850 -0.495 0.319 C 2.558 0.232 1.937 C 3.250 -1.016 -0.062 C -4.173 -0.115 -0.725 C 3.831 1.080 1.907 C -3.288 -1.269 -0.704 C 4.983 0.341 1.201 C 4.523 -0.200 -0.130 C -0.948 -2.003 -0.356 C 0.363 -1.775 -0.020 C 5.191 0.034 -1.260 C -5.621 -0.106 -1.256 C 4.903 -0.370 -2.665 C 0.937 2.485 -0.535 H -1.714 3.325 0.393 H -3.472 4.118 1.968 H -4.148 2.430 2.121 H -1.946 1.571 2.939 H -1.215 3.243 2.835 H -4.406 1.889 -0.137 H 2.707 -0.645 2.592 H 1.730 0.815 2.339 H 2.901 -1.325 -1.046 H 3.463 -1.934 0.511 H 4.126 1.332 2.931 H 3.621 2.019 1.382 H 5.292 -0.511 1.823 H 5.853 0.989 1.084 H -1.285 -2.990 -0.648 H 4.838 0.502 -3.319 H 3.999 -0.964 -2.765 H 0.191 2.596 -1.330 H 1.801 1.929 -0.909 H 1.254 3.472 -0.194 H 6.132 -2.097 -2.708 H 6.939 -0.699 -3.072 charges.txt